459-22-3 | 4-Fluorophenylacetonitrile

Packsize	Purity	Availability	Price	Discounted Price
5g	97%	in stock	$14.00	$10.00
10g	97%	in stock	$18.00	$12.00
25g	97%	in stock	$22.00	$15.00
100g	97%	in stock	$38.00	$26.00
500g	97%	in stock	$163.00	$114.00

Description

• Catalog Number: AB67562
• Chemical Name: 4-Fluorophenylacetonitrile
• CAS Number: 459-22-3
• Molecular Formula: C8H6FN
• Molecular Weight: 135.1383432
• MDL Number: MFCD00001917
• SMILES: N#CCc1ccc(cc1)F
• NSC Number: 60739

Computed Properties

• Complexity: 139
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Undefined Atom Stereocenter Count: 1
• XLogP3: 1.9

Literature

• 4-[5-Amino-4-(4-fluoro-phen-yl)-3-(pyridin-4-yl)-1H-pyrazol-1-yl]benzo-nitrile.

  Acta crystallographica. Section E, Structure reports online 20120401

• 4-(4-Fluoro-phen-yl)-1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-5-amine.

  Acta crystallographica. Section E, Structure reports online 20120301

• 4-(4-Fluoro-phen-yl)-1-(4-nitro-phen-yl)-3-(pyridin-4-yl)-1H-pyrazol-5-amine.

  Acta crystallographica. Section E, Structure reports online 20120301

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101